sodium 5-(2-chloroethyloxy)-2-methyl-benzenesulfonate

Systemtic Name: sodium 5-(2-chloroethyloxy)-2-methyl-benzenesulfonate Openeye Name: sodium 5-(2-chloroethoxy)-2-methyl-benzenesulfonate CAS Name: sodium 5-(2-chloroethoxy)-2-methylbenzenesulfonate IUPAC Name: sodium 5-(2-chloroethoxy)-2-methylbenzenesulfonate Traditional Name: sodium 5-(2-chloroethoxy)-2-methyl-besylate Formula: C9H10ClNaO4S MolecularWeight: 272.68107

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCCCl)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC1=C(C=C(C=C1)OCCCl)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C9H11ClO4S.Na/c1-7-2-3-8(14-5-4-10)6-9(7)15(11,12)13;/h2-3,6H,4-5H2,1H3,(H,11,12,13);/q;+1/p-1